3-[2-[[2-[(5-acetamido-2-tert-butyl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[[2-[(5-acetamido-2-tert-butyl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[2-(5-acetamido-2-tert-butyl-anilino)-2-oxo-acetyl]amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-(5-acetamido-2-tert-butylanilino)-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[[2-(5-acetamido-2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[[2-(5-acetamido-2-tert-butyl-anilino)-2-keto-acetyl]amino]propanoylamino]-4-keto-butyric acid Formula: C21H28N4O7 MolecularWeight: 448.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(=O)NC1=C(C=CC(=C1)NC(=O)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(=O)NC1=C(C=CC(=C1)NC(=O)C)C(C)(C)C

InChI

InChI=1S/C21H28N4O7/c1-11(18(30)24-14(10-26)9-17(28)29)22-19(31)20(32)25-16-8-13(23-12(2)27)6-7-15(16)21(3,4)5/h6-8,10-11,14H,9H2,1-5H3,(H,22,31)(H,23,27)(H,24,30)(H,25,32)(H,28,29)